EcoDrugPlus


Synonyms	Mitoguazone
Status
Molecule Category	UNKNOWN
ATC	L01XX16
UNII	OD5Q0L447W

Synonyms

Mitoguazone

Status

Molecule Category

UNKNOWN

ATC

L01XX16

UNII

OD5Q0L447W


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	MXWHMTNPTTVWDM-NXOFHUPFSA-N
Smiles	CC(/C=N/NC(=N)N)=N\NC(=N)N
InChI	InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+

InChI Key

MXWHMTNPTTVWDM-NXOFHUPFSA-N

Smiles

CC(/C=N/NC(=N)N)=N\NC(=N)N

InChI

InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+

Property Name	Value
Molecular Formula	C5H12N8
Molecular Weight	184.21
AlogP	-2.11
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	153.52
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C5H12N8

Molecular Weight

184.21

AlogP

-2.11

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

3.0

Polar Surface Area

153.52

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

13.0

Resources	Reference
ChEBI	43996
ChEMBL	CHEMBL216913
DrugBank	DB12967
DrugCentral	3362
FDA SRS	OD5Q0L447W
PDB	MGB
PubChem	76961227
SureChEMBL	SCHEMBL8454
ZINC	ZINC000004557060

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PDB

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

MITOGUAZONE

Structure

Physicochemical Descriptors

Cross References